Home > Compound List > Compound details
635324-41-3 molecular structure
click picture or here to close

6-methylpyridazine-3-carbaldehyde

ChemBase ID: 806459
Molecular Formular: C6H6N2O
Molecular Mass: 122.12464
Monoisotopic Mass: 122.04801282
SMILES and InChIs

SMILES:
n1nc(ccc1C)C=O
Canonical SMILES:
Cc1ccc(nn1)C=O
InChI:
InChI=1S/C6H6N2O/c1-5-2-3-6(4-9)8-7-5/h2-4H,1H3
InChIKey:
OPKGSXZJDAALJL-UHFFFAOYSA-N

Cite this record

CBID:806459 http://www.chembase.cn/molecule-806459.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylpyridazine-3-carbaldehyde
IUPAC Traditional name
6-methylpyridazine-3-carbaldehyde
Synonyms
6-METHYLPYRIDAZINE-3-CARBALDEHYDE
CAS Number
635324-41-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24115 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24115 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2941737  LogD (pH = 7.4) 0.29421848 
Log P 0.29421905  Molar Refractivity 34.5547 cm3
Polarizability 12.227609 Å3 Polar Surface Area 42.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle